Details of the Drug

General Information of Drug (ID: DMVRWL6)

Drug Name

propargylglycine

Synonyms

2-(Prop-2-ynylamino)acetic acid; Glycine,N-2-propyn-1-yl-; 58160-95-5; Acetic acid, 2-(prop-2-ynylamino)-; NSC692226; 2-[(prop-2-yn-1-yl)amino]acetic acid; (2-Propynylamino)acetic acid; Propargyl-glycine; AC1L4HR4; SCHEMBL44356; GTPL5247; CHEMBL1993296; CTK5A7939; DTXSID90206892; ZINC1858411; AKOS009210257; NSC-692226; AC-6385; SC-10419; NCI60_033077; KB-50364; SC-65650; TL8001634; FT-0764746; I04-0895; I04-0888

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

113.11

Logarithm of the Partition Coefficient (xlogp)

-1.8

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C5H7NO2
IUPAC Name: 2-(prop-2-ynylamino)acetic acid
Canonical SMILES: C#CCNCC(=O)O
InChI: InChI=1S/C5H7NO2/c1-2-3-6-4-5(7)8/h1,6H,3-4H2,(H,7,8)
InChIKey: XSJLQGMTIHCDSS-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 185909
CAS Number: 58160-95-5
TTD ID: D06HNS

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Cystathionine gamma-lyase (CTH)	TTLQUZS	CGL_HUMAN	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 5247).
2	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 1444).